1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea

C23H28N6O3 — CID 58881834

IUPAC1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OCCCN4CCOCC4)cc3)nc2n1
InChIInChI=1S/C23H28N6O3/c1-2-24-23(30)28-21-9-8-19-22(27-21)26-20(16-25-19)17-4-6-18(7-5-17)32-13-3-10-29-11-14-31-15-12-29/h4-9,16H,2-3,10-15H2,1H3,(H2,24,26,27,28,30)
InChIKeyRSIBWWOEXPPUAQ-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.93
Rot. Bonds8

About 1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea

1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 58881834) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID58881834
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OCCCN4CCOCC4)cc3)nc2n1
InChIInChI=1S/C23H28N6O3/c1-2-24-23(30)28-21-9-8-19-22(27-21)26-20(16-25-19)17-4-6-18(7-5-17)32-13-3-10-29-11-14-31-15-12-29/h4-9,16H,2-3,10-15H2,1H3,(H2,24,26,27,28,30)
InChIKeyRSIBWWOEXPPUAQ-UHFFFAOYSA-N
XLogP2.93
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea (CID 58881834) is 1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(-c3ccc(OCCCN4CCOCC4)cc3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is RSIBWWOEXPPUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-2-24-23(30)28-21-9-8-19-22(27-21)26-20(16-25-19)17-4-6-18(7-5-17)32-13-3-10-29-11-14-31-15-12-29/h4-9,16H,2-3,10-15H2,1H3,(H2,24,26,27,28,30).
What are the key properties of 1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 436.52 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 58881834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).